4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine

C16H21N3O2 — CID 82463609

IUPAC4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine
SMILESCOc1cccc(-c2ncc(C3CCNCC3)[nH]2)c1OC
InChIInChI=1S/C16H21N3O2/c1-20-14-5-3-4-12(15(14)21-2)16-18-10-13(19-16)11-6-8-17-9-7-11/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyLOEZGEHMJLZBGI-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.56
Rot. Bonds4

About 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine

4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine (PubChem CID 82463609) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine
PubChem CID82463609
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine
SMILESCOc1cccc(-c2ncc(C3CCNCC3)[nH]2)c1OC
InChIInChI=1S/C16H21N3O2/c1-20-14-5-3-4-12(15(14)21-2)16-18-10-13(19-16)11-6-8-17-9-7-11/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19)
InChIKeyLOEZGEHMJLZBGI-UHFFFAOYSA-N
XLogP2.56
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine
CID 82463539
4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
CID 82463603
5-(2,3-dimethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 56926255
4-(2-methoxyphenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115003498
4-(2-methoxyphenyl)piperidine
CID 544738
2-cyclopropyl-6-(2,3-dimethoxyphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521194
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 90412385
5-methoxy-1-piperidin-4-yloxyisoquinoline
CID 82569775
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
2-(2,3-dimethoxyphenyl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106521207

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine?
The IUPAC name of 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine (CID 82463609) is 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine.
What is the SMILES notation for 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine?
The canonical SMILES for 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine is COc1cccc(-c2ncc(C3CCNCC3)[nH]2)c1OC.
What is the InChIKey of 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine?
The InChIKey is LOEZGEHMJLZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-14-5-3-4-12(15(14)21-2)16-18-10-13(19-16)11-6-8-17-9-7-11/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine?
4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine has a molecular weight of 287.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethoxyphenyl)-1H-imidazol-5-yl]piperidine is sourced from PubChem (CID 82463609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).